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CAS 14116-68-8 LACTO-N-TETRAOSE molecular structure lightbox
CAS RN: 14116-68-8

LACTO-N-TETRAOSE

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260408 1mg / 5mg / 25mg / 100mg Confirm by inquiry Shanghai, Shandong, Guangdong Inquiry
  • Product code: SSC-051603
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 0.01g, 0.05g, 0.1g
  • Available purity: ≥98%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 14116-68-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.01g ≥98% 0 Out of Stock Hong Kong Inquiry
0.05g ≥98% 0 Out of Stock Shenzhen Inquiry
0.1g ≥98% 0 Out of Stock Shenzhen Inquiry

14116-68-8 / N-[(2S,3R,4R,5S,6R)-2-[(2R,3S,4S,5R,6S)-3,5-dihydroxy-2-(hydroxymethyl)-6-[(2R,3S,4R,5R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-4-yl]oxy-5-hydroxy-6-(hydroxymethyl)-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamide

Standard CAS: 14116-68-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
14116-68-8
Multi CAS
No
Molecular Formula
C26H45NO21
Molecular Weight
707.600000
Exact Mass
707.248407
SMILES
CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O[C@H]2[C@H]([C@H](O[C@H]([C@@H]2O)O[C@@H]3[C@H](OC([C@@H]([C@H]3O)O)O)CO)CO)O)CO)O)O[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)O)O
InChI
InChI=1S/C26H45NO21/c1-6(32)27-11-21(47-25-18(39)15(36)12(33)7(2-28)44-25)13(34)8(3-29)43-24(11)48-22-14(35)9(4-30)45-26(19(22)40)46-20-10(5-31)42-23(41)17(38)16(20)37/h7-26,28-31,33-41H,2-5H2,1H3,(H,27,32)/t7-,8-,9-,10-,11-,12+,13-,14+,15+,16-,17-,18-,19-,20-,21-,22+,23?,24+,25+,26+/m1/s1
InChIKey
AXQLFFDZXPOFPO-FSGZUBPKSA-N

Computed Properties

Structural Parameters

Heavy atom count
48
Fraction Csp3
0.96
Rotatable bonds
11
H-bond acceptors
21
H-bond donors
14
Molar refractivity
145.48
TPSA
356.7

LogP / Solubility

WLOGP
-9.61
MLOGP
-8.39
XLogP3
-7.9
Consensus LogP
-8.63
Log S (ESOL)
2.55
Class (ESOL)
Highly soluble
Log S (Ali)
1.57
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
2.39
Class (SILICOS-IT)
Highly soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-13.86

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
10

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